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2-[(o-Chlorophenyl)sulfonyl]-3-[(4-methoxy-6-methyl-S-triazin-2-yl)amino]acrylonitrile
SpectraBase Compound ID G9qPI88LKGL
InChI InChI=1S/C14H12ClN5O3S/c1-9-18-13(20-14(19-9)23-2)17-8-10(7-16)24(21,22)12-6-4-3-5-11(12)15/h3-6,8H,1-2H3,(H,17,18,19,20)
InChIKey URYQGXIBKQABNU-UHFFFAOYSA-N
Mol Weight 365.8 g/mol
Molecular Formula C14H12ClN5O3S
Exact Mass 365.034938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RSWjLtHjqX
Name 2-[(o-Chlorophenyl)sulfonyl]-3-[(4-methoxy-6-methyl-S-triazin-2-yl)amino]acrylonitrile
Comments Computed using HOSE algorithm
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Exact Mass 365.034938137 u
Formula C14H12ClN5O3S
InChI InChI=1S/C14H12ClN5O3S/c1-9-18-13(20-14(19-9)23-2)17-8-10(7-16)24(21,22)12-6-4-3-5-11(12)15/h3-6,8H,1-2H3,(H,17,18,19,20)
InChIKey URYQGXIBKQABNU-UHFFFAOYSA-N
Molecular Weight 365.795 g/mol
SMILES N(C1=NC(=NC(=N1)C)OC)C=C(S(=O)(=O)C=1C=CC=CC1Cl)C#N